6-fluoranyl-1-[4-fluoranyl-3-(methylamino)phenyl]-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-[4-fluoranyl-3-(methylamino)phenyl]-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-[4-fluoro-3-(methylamino)phenyl]-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-[4-fluoro-3-(methylamino)phenyl]-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-[4-fluoro-3-(methylamino)phenyl]-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-[4-fluoro-3-(methylamino)phenyl]-4-keto-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C22H22F2N4O3 MolecularWeight: 428.431886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC(=C(C=C4)F)NC)F

Isomeric SMILES

CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC(=C(C=C4)F)NC)F

InChI

InChI=1S/C22H22F2N4O3/c1-12-10-27(6-5-26-12)20-9-19-14(8-17(20)24)21(29)15(22(30)31)11-28(19)13-3-4-16(23)18(7-13)25-2/h3-4,7-9,11-12,25-26H,5-6,10H2,1-2H3,(H,30,31)